SCHEMBL4789944

SCHEMBL4789944

Fc1cc(-c2nc(N3CCOCC3)c3oc(CN4CCC5(CCNC5)CC4)cc3n2)c2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.50
CYP3A4 P08684 2/20 0.50
PIK3CA P42336 10/20 0.45
PIK3CB P42338 8/20 0.45
ATR Q13535 2/20 0.44
PIK3CG P48736 6/20 0.42
PIK3R1 P27986 3/20 0.39
MTOR P42345 2/20 0.39
PRKDC P78527 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13983587 0.91 PIK3CD (0.49) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL994223 0.87 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL13983586 0.84 PIK3CD (0.51) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL994376 0.83 PIK3CD (0.63) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL993155 0.81 PIK3CD (0.69) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL13983683 0.79 PIK3CD (0.49) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL995967 0.78 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL13983613 0.77 PIK3CD (0.47) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL13983685 0.77 PIK3CD (0.47) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL2464953 0.75 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO claimed
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed